1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole

C15H14BrN3 — CID 115582513

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3cncc(Br)c3)c2cc1C
InChIInChI=1S/C15H14BrN3/c1-10-3-14-15(4-11(10)2)19(9-18-14)8-12-5-13(16)7-17-6-12/h3-7,9H,8H2,1-2H3
InChIKeyIWEOYFCQLQRFCB-UHFFFAOYSA-N
MW316.20 g/mol
LogP3.86
Rot. Bonds2

About 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole

1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole (PubChem CID 115582513) has the molecular formula C15H14BrN3 and a molecular weight of 316.20 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole
PubChem CID115582513
Molecular FormulaC15H14BrN3
Molecular Weight316.20 g/mol
Exact Mass315.04
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole
SMILESCc1cc2ncn(Cc3cncc(Br)c3)c2cc1C
InChIInChI=1S/C15H14BrN3/c1-10-3-14-15(4-11(10)2)19(9-18-14)8-12-5-13(16)7-17-6-12/h3-7,9H,8H2,1-2H3
InChIKeyIWEOYFCQLQRFCB-UHFFFAOYSA-N
XLogP3.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.20
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-bromo-3-pyridinyl)methyl]quinazolin-4-one
CID 39528816
1-[(5-methyl-3-pyridinyl)methyl]benzimidazole
CID 102879192
2-chloro-5-[(5,6-dimethylbenzimidazol-1-yl)methyl]aniline
CID 43349889
4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N'-hydroxybenzenecarboximidamide
CID 24700719
4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-N-ethylpyridin-2-amine
CID 62464370
[4-[(5,6-dimethylbenzimidazol-1-yl)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728920
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-5,6-dimethylbenzimidazole
CID 115582509
1-(3-bromo-2,2-dimethylpropyl)-5,6-dimethylbenzimidazole
CID 64995120
1-[(5-bromo-3-pyridinyl)methyl]-4-methylpyridin-2-one
CID 104809227
1-[(2,4-dichlorophenyl)methyl]-5,6-dimethylbenzimidazole
CID 962381
5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-4-methylthiadiazole
CID 166178508
(2R)-1-(4-bromopyrazol-1-yl)-3-(5,6-dimethylbenzimidazol-1-yl)propan-2-ol
CID 97243193

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole (CID 115582513) is 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole is Cc1cc2ncn(Cc3cncc(Br)c3)c2cc1C.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
The InChIKey is IWEOYFCQLQRFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3/c1-10-3-14-15(4-11(10)2)19(9-18-14)8-12-5-13(16)7-17-6-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole?
1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole has a molecular weight of 316.20 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-5,6-dimethylbenzimidazole is sourced from PubChem (CID 115582513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).